CID 131701613

1-(bromomethyl)-1-fluoro-4,4-dimethylcyclohexane

Structural Information

Molecular Formula
C9H16BrF
SMILES
CC1(CCC(CC1)(CBr)F)C
InChI
InChI=1S/C9H16BrF/c1-8(2)3-5-9(11,7-10)6-4-8/h3-7H2,1-2H3
InChIKey
WSMKUWHOLKZXKP-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-fluoro-4,4-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.04195 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.049226 141.0
[M+Na]+ 245.031168 151.5
[M-H]- 221.034674 146.0
[M+NH4]+ 240.075773 166.8
[M+K]+ 261.005108 141.3
[M+H-H2O]+ 205.039210 142.6
[M+HCOO]- 267.040151 158.1
[M+CH3COO]- 281.055801 186.1
[M+Na-2H]- 243.016616 148.2
[M]+ 222.04140142 155.6
[M]- 222.04249858 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.